N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-3-pyrazin-2-yloxybenzamide

C20H16BrN3O2 — CID 139010394

IUPACN-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-3-pyrazin-2-yloxybenzamide
SMILESO=C(N[C@@H]1C[C@H]1c1ccccc1Br)c1cccc(Oc2cnccn2)c1
InChIInChI=1S/C20H16BrN3O2/c21-17-7-2-1-6-15(17)16-11-18(16)24-20(25)13-4-3-5-14(10-13)26-19-12-22-8-9-23-19/h1-10,12,16,18H,11H2,(H,24,25)/t16-,18+/m0/s1
InChIKeyYPNFTIWBSPXLMP-FUHWJXTLSA-N
MW410.27 g/mol
LogP4.32
Rot. Bonds5

About N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-3-pyrazin-2-yloxybenzamide

N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-3-pyrazin-2-yloxybenzamide (PubChem CID 139010394) has the molecular formula C20H16BrN3O2 and a molecular weight of 410.27 g/mol. Its IUPAC name is N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-3-pyrazin-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-3-pyrazin-2-yloxybenzamide
PubChem CID139010394
Molecular FormulaC20H16BrN3O2
Molecular Weight410.27 g/mol
Exact Mass409.04
IUPAC NameN-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-3-pyrazin-2-yloxybenzamide
SMILESO=C(N[C@@H]1C[C@H]1c1ccccc1Br)c1cccc(Oc2cnccn2)c1
InChIInChI=1S/C20H16BrN3O2/c21-17-7-2-1-6-15(17)16-11-18(16)24-20(25)13-4-3-5-14(10-13)26-19-12-22-8-9-23-19/h1-10,12,16,18H,11H2,(H,24,25)/t16-,18+/m0/s1
InChIKeyYPNFTIWBSPXLMP-FUHWJXTLSA-N
XLogP4.32
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.27
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-piperidin-4-yl-3-pyrazin-2-yloxybenzamide;dihydrochloride
CID 119388069
N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-3-(dimethylsulfamoyl)benzamide
CID 139010390
N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-4-methylbenzamide
CID 100649749
N-(2-amino-2-methylpropyl)-3-pyrazin-2-yloxybenzamide
CID 119628152
N-(2,3-dihydro-1H-inden-2-yl)-3-pyridin-2-yloxybenzamide
CID 90596546
N-[2-(ethylamino)ethyl]-3-pyrazin-2-yloxybenzamide
CID 119506992
N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-3-(1,3-thiazol-2-yloxy)benzamide
CID 139006015
N-(2-aminopentyl)-3-pyrazin-2-yloxybenzamide
CID 86813885
4-methoxy-2-[(3-pyrazin-2-yloxybenzoyl)amino]butanoic acid
CID 120703222
N-(1-amino-2,3-dimethylbutan-2-yl)-3-pyrazin-2-yloxybenzamide
CID 119607218
2-[cyclopropyl-(3-pyrazin-2-yloxybenzoyl)amino]acetic acid
CID 120517586
N-(2-aminopentyl)-3-pyrazin-2-yloxybenzamide;dihydrochloride
CID 86813884

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-3-pyrazin-2-yloxybenzamide?
The IUPAC name of N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-3-pyrazin-2-yloxybenzamide (CID 139010394) is N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-3-pyrazin-2-yloxybenzamide.
What is the SMILES notation for N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-3-pyrazin-2-yloxybenzamide?
The canonical SMILES for N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-3-pyrazin-2-yloxybenzamide is O=C(N[C@@H]1C[C@H]1c1ccccc1Br)c1cccc(Oc2cnccn2)c1.
What is the InChIKey of N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-3-pyrazin-2-yloxybenzamide?
The InChIKey is YPNFTIWBSPXLMP-FUHWJXTLSA-N. The full InChI is InChI=1S/C20H16BrN3O2/c21-17-7-2-1-6-15(17)16-11-18(16)24-20(25)13-4-3-5-14(10-13)26-19-12-22-8-9-23-19/h1-10,12,16,18H,11H2,(H,24,25)/t16-,18+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-3-pyrazin-2-yloxybenzamide?
N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-3-pyrazin-2-yloxybenzamide has a molecular weight of 410.27 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-3-pyrazin-2-yloxybenzamide is sourced from PubChem (CID 139010394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).